ATOM 36
1 C1y C 23.6211 -13.4072
2 C1y C 23.6211 -14.8045
3 C1y C 25.0183 -14.8045
4 C1y C 25.0183 -13.4072
5 C1b C 22.6331 -15.7924
6 C1b C 26.0063 -15.7924
7 C8x C 26.4937 -11.0927
8 C8y C 26.0488 -12.4172
9 N4x N 27.1711 -13.2496
10 C8y C 28.3095 -12.4396
11 N5x N 27.8910 -11.1064
12 N5x N 20.6169 -10.9620
13 C8y C 20.1977 -12.2894
14 N4x N 21.3155 -13.1277
15 C8y C 22.4334 -12.2894
16 C8x C 22.0142 -10.9620
17 N1a N 29.6242 -12.8810
18 N1a N 18.8673 -12.7165
19 N1b N 22.6331 -17.1897
20 N1b N 26.0063 -17.1897
21 C5a C 21.4230 -17.8884
22 C5a C 27.2047 -17.8816
23 O5a O 28.4006 -17.1909
24 C8y C 27.2048 -19.2756
25 O5a O 20.2332 -17.2010
26 C8y C 21.4230 -19.2754
27 N4x N 26.0609 -20.1069
28 C8x C 26.4982 -21.4517
29 C8y C 27.9122 -21.4515
30 C8x C 28.3490 -20.1065
31 C8x C 20.3139 -20.0817
32 C8y C 20.7380 -21.3858
33 C8x C 22.1093 -21.3855
34 N4x N 22.5327 -20.0811
35 X Br 19.9302 -22.4984
36 X Br 28.7265 -22.5714
BOND 40
1 1 2 1
2 2 3 1
3 3 4 1
4 1 4 1
5 2 5 1 #Up
6 3 6 1 #Down
7 7 8 2
8 8 9 1
9 9 10 1
10 10 11 2
11 7 11 1
12 4 8 1 #Up
13 12 13 2
14 13 14 1
15 14 15 1
16 15 16 2
17 12 16 1
18 1 15 1 #Down
19 10 17 1
20 13 18 1
21 5 19 1
22 6 20 1
23 19 21 1
24 20 22 1
25 22 23 2
26 22 24 1
27 21 25 2
28 21 26 1
29 24 27 1
30 27 28 1
31 28 29 2
32 29 30 1
33 24 30 2
34 26 31 2
35 31 32 1
36 32 33 2
37 33 34 1
38 26 34 1
39 32 35 1
40 29 36 1
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